4-[1-benzofuran-2-yl-(4-methylphenyl)methyl]morpholine

C20H21NO2 — CID 13048630

IUPAC4-[1-benzofuran-2-yl-(4-methylphenyl)methyl]morpholine
SMILESCc1ccc(C(c2cc3ccccc3o2)N2CCOCC2)cc1
InChIInChI=1S/C20H21NO2/c1-15-6-8-16(9-7-15)20(21-10-12-22-13-11-21)19-14-17-4-2-3-5-18(17)23-19/h2-9,14,20H,10-13H2,1H3
InChIKeyVPUZUEVHYMJUFW-UHFFFAOYSA-N
MW307.39 g/mol
LogP4.16
Rot. Bonds3

About 4-[1-benzofuran-2-yl-(4-methylphenyl)methyl]morpholine

4-[1-benzofuran-2-yl-(4-methylphenyl)methyl]morpholine (PubChem CID 13048630) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 4-[1-benzofuran-2-yl-(4-methylphenyl)methyl]morpholine.

Molecular Properties

Compound Name4-[1-benzofuran-2-yl-(4-methylphenyl)methyl]morpholine
PubChem CID13048630
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name4-[1-benzofuran-2-yl-(4-methylphenyl)methyl]morpholine
SMILESCc1ccc(C(c2cc3ccccc3o2)N2CCOCC2)cc1
InChIInChI=1S/C20H21NO2/c1-15-6-8-16(9-7-15)20(21-10-12-22-13-11-21)19-14-17-4-2-3-5-18(17)23-19/h2-9,14,20H,10-13H2,1H3
InChIKeyVPUZUEVHYMJUFW-UHFFFAOYSA-N
XLogP4.16
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-benzofuran-2-yl(phenyl)methyl]pyrrolidine
CID 71560868
1-[1-benzofuran-2-yl-(4-chlorophenyl)methyl]-4-methylpiperazine
CID 13048632
2-(1-benzofuran-2-yl)-N-(2,6-dimethylphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]acetamide
CID 53383972
N-[2-[(S)-(4-methylphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
CID 92501004
1-benzofuran-2-yl-(5-methyl-1-benzofuran-2-yl)methanamine
CID 63326539
4-[1-benzofuran-2-yl(phenyl)methyl]-1,2,4-triazole
CID 57079600
4-[bis(4-fluorophenyl)methyl]morpholine
CID 25146239
1-(1-benzofuran-2-yl)-2-(4-methylphenyl)sulfinylethanamine
CID 64658863
1-[1-(1-benzofuran-2-yl)ethyl]-3-(3-ethyl-2-morpholin-4-ylpentyl)urea
CID 46493943
2-[morpholin-4-yl-(4-phenylphenyl)methyl]phenol
CID 102327495
4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]morpholine;hydrochloride
CID 171668621
1-[1-benzofuran-2-yl-(3-methylphenyl)methyl]-2,5-dimethylpiperazine
CID 20612350

Frequently Asked Questions

What is the IUPAC name of 4-[1-benzofuran-2-yl-(4-methylphenyl)methyl]morpholine?
The IUPAC name of 4-[1-benzofuran-2-yl-(4-methylphenyl)methyl]morpholine (CID 13048630) is 4-[1-benzofuran-2-yl-(4-methylphenyl)methyl]morpholine.
What is the SMILES notation for 4-[1-benzofuran-2-yl-(4-methylphenyl)methyl]morpholine?
The canonical SMILES for 4-[1-benzofuran-2-yl-(4-methylphenyl)methyl]morpholine is Cc1ccc(C(c2cc3ccccc3o2)N2CCOCC2)cc1.
What is the InChIKey of 4-[1-benzofuran-2-yl-(4-methylphenyl)methyl]morpholine?
The InChIKey is VPUZUEVHYMJUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-15-6-8-16(9-7-15)20(21-10-12-22-13-11-21)19-14-17-4-2-3-5-18(17)23-19/h2-9,14,20H,10-13H2,1H3.
What are the key properties of 4-[1-benzofuran-2-yl-(4-methylphenyl)methyl]morpholine?
4-[1-benzofuran-2-yl-(4-methylphenyl)methyl]morpholine has a molecular weight of 307.39 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-benzofuran-2-yl-(4-methylphenyl)methyl]morpholine is sourced from PubChem (CID 13048630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).